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Primulaverin

CAT: 0931-T125747-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125747-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
154-61-0
Target
Others
Related Pathways
Others
Bioactivity
Primulaverin is a useful organic compound for research related to life sciences. The catalog number is T125747 and the CAS number is 154-61-0.
Smiles
COC(=O)c1cc(OC)ccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Molecular Formula
C20H28O13
Molecular Weight
476.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Primulaverin

See also: Primula veris flower (part of).

CAS Number154-61-0
PubChem CID3083558
IUPAC Namemethyl 5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate
Molecular FormulaC20H28O13
Molecular Weight476.4
XLogP-2.5
Topological Polar Surface Area194
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity635
SMILES
COC1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O)C(=O)OC
InChI
InChI=1S/C20H28O13/c1-28-8-3-4-11(9(5-8)18(27)29-2)32-20-17(26)15(24)14(23)12(33-20)7-31-19-16(25)13(22)10(21)6-30-19/h3-5,10,12-17,19-26H,6-7H2,1-2H3/t10-,12-,13+,14-,15+,16-,17-,19+,20-/m1/s1
InChIKey
CDWVFJJMYKSVHM-HSMQXHTESA-N
Chemical Structure
2D Structure
2D structure of Primulaverin
CAS: 154-61-0
CID: 3083558
Formula: C20H28O13
MW: 476.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.4
XLogP3-2.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass476.15299094
Monoisotopic Mass476.15299094
Topological Polar Surface Area194 Ų
Heavy Atom Count33
Formal Charge0
Complexity635
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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